Information card for entry 7204488

Structure parameters

• Formula: C12 H14 O4
• Calculated formula: C12 H14 O4
• SMILES: c1(ccccc1)[C@H]1[C@H]2[C@@H]([C@](CO)(CO2)O1)O
• Title of publication: Conformationally locked aryl C-nucleosides: synthesis of phosphoramidite monomers and incorporation into single-stranded DNA and LNA (locked nucleic acid)1
• Authors of publication: Ravindra Babu, B.; Prasad, Ashok K.; Trikha, Smriti; Thorup, Niels; Parmar, Virinder S.; Wengel, Jesper
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 2509
• a: 9.2257 ± 0.0012 Å
• b: 6.1948 ± 0.0008 Å
• c: 9.5781 ± 0.0012 Å
• α: 90°
• β: 108.22 ± 0.002°
• γ: 90°
• Cell volume: 519.96 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No